Glycoside
GD053166
Name:
NoneFormula:
C13H19O8N3Smiles:
COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(C=O)c(=O)n1CAglycone:
COc1nc(N)c(C=O)c(=O)n1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -3.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 345.31 | Num_heavy_atoms: | 24 |
| TPSA: | 163.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD25448
Formula: C7H9O3N3
Smiles:
COc1nc(N)c(C=O)c(=O)n1C| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 183.17 | Num_heavy_atoms: | 13 |
| TPSA: | 87.21 | NumAromaticRings: | 1 |
